Chemical Properties of 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester

InChI

InChI=1S/C12H13F11O2/c1-2-3-4-5-6-25-7(24)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3

InChI Key

TXJKATBVTOHLTD-UHFFFAOYSA-N

Formula

C12H13F11O2

SMILES

CCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

398.21

Other Names

• Hexyl perfluorohexanoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2807.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.43	kJ/mol	Joback Calculated Property
ΔvapH°	61.67	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.44		Relay (1.0) Calculated Property
logPoct/wat	5.213		Crippen Calculated Property
McVol	206.850	ml/mol	McGowan Calculated Property
Pc	1347.68	kPa	Joback Calculated Property
Inp	[1030.00; 1030.50]
Inp	1030.00		NIST
Inp	1030.50		NIST
Inp	1030.00		NIST
Tboil	458.24	K	Relay (1.0) Calculated Property
Tc	578.24	K	Relay (1.0) Calculated Property
Tfus	234.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.75; 637.73]	J/mol×K	[526.07; 665.85]
Cp,gas	567.75	J/mol×K	526.07	Joback Calculated Property
Cp,gas	581.28	J/mol×K	549.37	Joback Calculated Property
Cp,gas	594.01	J/mol×K	572.66	Joback Calculated Property
Cp,gas	605.99	J/mol×K	595.96	Joback Calculated Property
Cp,gas	617.24	J/mol×K	619.26	Joback Calculated Property
Cp,gas	627.81	J/mol×K	642.55	Joback Calculated Property
Cp,gas	637.73	J/mol×K	665.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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